Sugi Predict

Sugi Predict / Compounds / SCHEMBL2643085

SCHEMBL2643085

SCHEMBL2643085

CCC(=O)c1ccc(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ XIAP P98170 1/20 0.39
▸ BIRC2 Q13490 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17819955 0.85 GABRA1 (0.47) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL9782940 0.83 KMT2A (0.38) TDP1MAPTKDM4EALDH1A1NFKB1
SCHEMBL2071336 0.82 GSK3B (0.52) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL30518645 0.82 GSK3B (0.52) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL26403103 0.82 XIAP (0.44) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL12569960 0.82 TDP1 (0.43) TDP1MAPTRAB9AKDM4EALDH1A1
Bromide SCHEMBL7477106 0.81 GSK3B (0.50) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL17820234 0.80 KDM4E (0.43) TDP1MAPTRAB9AKDM4EALDH1A1
SCHEMBL17666650 0.80 HSP90AB1 (0.44) TDP1MAPTKDM4EALDH1A1NFKB1
SCHEMBL25139874 0.79 TDP1 (0.44) TDP1MAPTRAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021263069-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE LI FENGQIAO (US) 2021-12-30 — — WO disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 — — EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 — — EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
CN-100436445-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2008-11-26 — — CN disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 — — CN disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 — — CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 — — CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 TDP1 3318/4885MAPT 3669/4885RAB9A 757/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP TDP1 1008/4885MAPT 1811/4885RAB9A 3423/4885
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS RET, MECP2, RB1 TDP1 519/4885MAPT 1402/4885RAB9A 556/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TDP1 4580/4885MAPT 4612/4885RAB9A 3535/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TDP1 4577/4885MAPT 4596/4885RAB9A 3609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.